SERCA INHIBITION BY HYDROQUINONE DERIVATIVES

氢醌衍生物对 SERCA 的抑制作用

• 批准号: 8168286
• 负责人: Stefan Franz Paula
• 金额: $ 12.69万
• 依托单位: UNIVERSITY OF LOUISVILLE
• 依托单位国家: 美国
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-05-01 至 2011-04-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8168286
• 关键词: Antineoplastic Agents; Biological Assay; Ca(2+)-Transporting ATPase; Computational Technique; Computer Retrieval of Information on Scientific Projects Database; Docking; Endoplasmic Reticulum; Enzyme Inhibitor Drugs; Enzyme Inhibitors; Enzymes; Funding; Grant; Hydroquinones; Institution; Libraries; Ligands; Modeling; Physiological Processes; Research; Research Personnel; Resources; Role; Series; Source; Structure-Activity Relationship; Testing; United States National Institutes of Health; base; hydroquinone; inhibitor/antagonist; novel; tool

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. Inhibitors of the enzyme sarco/endoplasmic reticulum Ca2+-ATPase (SERCA) are valuable research tools for the study of the enzyme's role in physiological processes and they also have the potential of being developed into new anti-cancer agents. A series of 2,5-disubstitued hydroquinones will be synthesized and their ability to inhibit SERCA will be assessed in bioassays. Based on the results, computational techniques such as structure-activity relationship modeling and ligand docking will be used to develop models capable of predicting the activities of yet untested, hydroquinone-based compounds. With the aid of these models, compound libraries will be screened virtually for novel SERCA inhibitors that then will be obtained and tested in bioassays.

该子项目是利用该技术的众多研究子项目之一 资源由 NIH/NCRR 资助的中心拨款提供。子项目和 研究者 (PI) 可能已从 NIH 的另一个来源获得主要资金， 因此可以在其他 CRISP 条目中表示。列出的机构是 对于中心来说，它不一定是研究者的机构。 肌浆/内质网 Ca2+-ATP 酶 (SERCA) 抑制剂是研究该酶在生理过程中的作用的有价值的研究工具，并且它们还具有开发成新型抗癌药物的潜力。将合成一系列 2,5-二取代氢醌，并在生物测定中评估它们抑制 SERCA 的能力。根据结果​​，构效关系建模和配体对接等计算技术将用于开发能够预测尚未测试的氢醌基化合物活性的模型。借助这些模型，将虚拟筛选化合物库中的新型 SERCA 抑制剂，然后获得这些抑制剂并在生物测定中进行测试。